N-(4-amino-1-bicyclo[2.2.2]octanyl)-2-(4-chlorophenoxy)acetamide

C16H21ClN2O2 — CID 155254690

IUPACN-(4-amino-1-bicyclo[2.2.2]octanyl)-2-(4-chlorophenoxy)acetamide
SMILESNC12CCC(NC(=O)COc3ccc(Cl)cc3)(CC1)CC2
InChIInChI=1S/C16H21ClN2O2/c17-12-1-3-13(4-2-12)21-11-14(20)19-16-8-5-15(18,6-9-16)7-10-16/h1-4H,5-11,18H2,(H,19,20)
InChIKeyWAXQVYNZXGFZCJ-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.64
Rot. Bonds4

About N-(4-amino-1-bicyclo[2.2.2]octanyl)-2-(4-chlorophenoxy)acetamide

N-(4-amino-1-bicyclo[2.2.2]octanyl)-2-(4-chlorophenoxy)acetamide (PubChem CID 155254690) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is N-(4-amino-1-bicyclo[2.2.2]octanyl)-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(4-amino-1-bicyclo[2.2.2]octanyl)-2-(4-chlorophenoxy)acetamide
PubChem CID155254690
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC NameN-(4-amino-1-bicyclo[2.2.2]octanyl)-2-(4-chlorophenoxy)acetamide
SMILESNC12CCC(NC(=O)COc3ccc(Cl)cc3)(CC1)CC2
InChIInChI=1S/C16H21ClN2O2/c17-12-1-3-13(4-2-12)21-11-14(20)19-16-8-5-15(18,6-9-16)7-10-16/h1-4H,5-11,18H2,(H,19,20)
InChIKeyWAXQVYNZXGFZCJ-UHFFFAOYSA-N
XLogP2.64
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]acetamide
CID 115764690
N-[1-(bromomethyl)cyclohexyl]-2-(4-chlorophenoxy)acetamide
CID 114314207
N-(1-carbamothioylcyclohexyl)-2-(4-chlorophenoxy)acetamide
CID 61118939
2-(4-chlorophenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
CID 103954312
2-(4-chlorophenoxy)-N-[3-[[2-(3-methylbutan-2-yloxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 137380538
3-[3-[[2-(4-chlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-N-methylpropanamide
CID 160534031
2-(4-chlorophenoxy)-N-hydroxyacetamide
CID 11183280
N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(3-methylcyclobutyl)oxyacetamide
CID 139517468
2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)ethylamino]-1-bicyclo[2.1.1]hexanyl]acetamide
CID 155303217
N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-[methyl(propyl)amino]acetamide
CID 137380477
2-(4-chlorophenoxy)-N-[3-[4-(4-methylphenoxy)butanoyl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 159936624
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-(4-chlorophenoxy)acetamide
CID 114758307

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1-bicyclo[2.2.2]octanyl)-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-(4-amino-1-bicyclo[2.2.2]octanyl)-2-(4-chlorophenoxy)acetamide (CID 155254690) is N-(4-amino-1-bicyclo[2.2.2]octanyl)-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-(4-amino-1-bicyclo[2.2.2]octanyl)-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-(4-amino-1-bicyclo[2.2.2]octanyl)-2-(4-chlorophenoxy)acetamide is NC12CCC(NC(=O)COc3ccc(Cl)cc3)(CC1)CC2.
What is the InChIKey of N-(4-amino-1-bicyclo[2.2.2]octanyl)-2-(4-chlorophenoxy)acetamide?
The InChIKey is WAXQVYNZXGFZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c17-12-1-3-13(4-2-12)21-11-14(20)19-16-8-5-15(18,6-9-16)7-10-16/h1-4H,5-11,18H2,(H,19,20).
What are the key properties of N-(4-amino-1-bicyclo[2.2.2]octanyl)-2-(4-chlorophenoxy)acetamide?
N-(4-amino-1-bicyclo[2.2.2]octanyl)-2-(4-chlorophenoxy)acetamide has a molecular weight of 308.81 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1-bicyclo[2.2.2]octanyl)-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 155254690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).